[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol

C23H20Cl2N2O2 — CID 10238097

IUPAC[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C23H20Cl2N2O2/c1-29-20-11-14(13-28)10-17(12-20)23-26-21(15-2-6-18(24)7-3-15)22(27-23)16-4-8-19(25)9-5-16/h2-12,21-22,28H,13H2,1H3,(H,26,27)
InChIKeyXIIAVAKBZMSSQR-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.33
Rot. Bonds5

About [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol

[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol (PubChem CID 10238097) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol
PubChem CID10238097
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C23H20Cl2N2O2/c1-29-20-11-14(13-28)10-17(12-20)23-26-21(15-2-6-18(24)7-3-15)22(27-23)16-4-8-19(25)9-5-16/h2-12,21-22,28H,13H2,1H3,(H,26,27)
InChIKeyXIIAVAKBZMSSQR-UHFFFAOYSA-N
XLogP5.33
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol (CID 10238097) is [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1.
What is the InChIKey of [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is XIIAVAKBZMSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-29-20-11-14(13-28)10-17(12-20)23-26-21(15-2-6-18(24)7-3-15)22(27-23)16-4-8-19(25)9-5-16/h2-12,21-22,28H,13H2,1H3,(H,26,27).
What are the key properties of [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol?
[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 427.33 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 10238097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).